Glycoside
GD150491
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1-ethyl-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl 4-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanoateFormula:
C45H76O19Smiles:
CCC1C(OC(=O)CCC(C)COC2OC(CO)C(O)C(O)C2O)CC2C3CCC4CC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CCC1C(OC(=O)CCC(C)CO)CC2C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.98 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 15 |
| MolWt: | 921.08 | Num_heavy_atoms: | 64 |
| TPSA: | 304.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD60108
Formula: C27H46O4
Smiles:
CCC1C(OC(=O)CCC(C)CO)CC2C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 5.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.66 | Num_heavy_atoms: | 31 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
